3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol

C11H13N3O — CID 39096479

IUPAC3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
SMILESCc1cccnc1-n1nc(C)c(O)c1C
InChIInChI=1S/C11H13N3O/c1-7-5-4-6-12-11(7)14-9(3)10(15)8(2)13-14/h4-6,15H,1-3H3
InChIKeyFAEIWHOOUDGLBW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.90
Rot. Bonds1

About 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol

3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol (PubChem CID 39096479) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
PubChem CID39096479
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
SMILESCc1cccnc1-n1nc(C)c(O)c1C
InChIInChI=1S/C11H13N3O/c1-7-5-4-6-12-11(7)14-9(3)10(15)8(2)13-14/h4-6,15H,1-3H3
InChIKeyFAEIWHOOUDGLBW-UHFFFAOYSA-N
XLogP1.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol?
The IUPAC name of 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol (CID 39096479) is 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol.
What is the SMILES notation for 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol?
The canonical SMILES for 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol is Cc1cccnc1-n1nc(C)c(O)c1C.
What is the InChIKey of 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol?
The InChIKey is FAEIWHOOUDGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-5-4-6-12-11(7)14-9(3)10(15)8(2)13-14/h4-6,15H,1-3H3.
What are the key properties of 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol?
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol has a molecular weight of 203.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol is sourced from PubChem (CID 39096479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).